ethyl 4-(4-cyano-5-methyl-4-phenyl-hexyl)-1-(phenylmethyl)piperazine-2-carboxylate

Systemtic Name: ethyl 4-(4-cyano-5-methyl-4-phenyl-hexyl)-1-(phenylmethyl)piperazine-2-carboxylate Openeye Name: ethyl 1-benzyl-4-(4-cyano-5-methyl-4-phenyl-hexyl)piperazine-2-carboxylate CAS Name: 4-(4-cyano-5-methyl-4-phenylhexyl)-1-(phenylmethyl)-2-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(4-cyano-5-methyl-4-phenylhexyl)piperazine-2-carboxylate Traditional Name: 1-benzyl-4-(4-cyano-5-methyl-4-phenyl-hexyl)piperazine-2-carboxylic acid ethyl ester Formula: C28H37N3O2 MolecularWeight: 447.61228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCN1CC2=CC=CC=C2)CCCC(C#N)(C3=CC=CC=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1CN(CCN1CC2=CC=CC=C2)CCCC(C#N)(C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C28H37N3O2/c1-4-33-27(32)26-21-30(18-19-31(26)20-24-12-7-5-8-13-24)17-11-16-28(22-29,23(2)3)25-14-9-6-10-15-25/h5-10,12-15,23,26H,4,11,16-21H2,1-3H3